MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000094
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000094
RECORD_TITLE: N-ACETYL-GLUTAMIC ACID DIETHYLESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: N-ACETYL-GLUTAMIC ACID DIETHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H19NO5
CH$EXACT_MASS: 245.12632
CH$SMILES: CCOC(=O)CCC([H])(NC(C)=O)C(=O)OCC
CH$IUPAC: InChI=1S/C11H19NO5/c1-4-16-10(14)7-6-9(12-8(3)13)11(15)17-5-2/h9H,4-7H2,1-3H3,(H,12,13)/t9-/m1/s1
CH$LINK: INCHIKEY
FBAOQDIATMHNAD-SECBINFHSA-N
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-9400000000-fb913c97f7a617b7e812
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
15 4.7 47
26 1.1 11
27 8.9 89
28 1.17 12
29 16.1 161
30 2.4 24
31 2.9 29
39 0.13 1
41 9.1 91
42 2.7 27
43 45.5 455
44 0.16 2
45 2.3 23
54 1.7 17
55 2.6 26
56 2.18 22
57 7.3 73
74 2.9 29
82 1 10
84 99.99 999
85 4.8 48
98 1.8 18
99 1.9 19
100 0.21 2
102 7 70
111 1.4 14
112 16.4 164
113 0.1 1
126 17 170
127 1.2 12
128 1.5 15
130 1.85 19
131 2.8 28
153 1.4 14
154 1.2 12
158 1.93 19
159 1.2 12
172 43.3 433
173 3.3 33
199 0.47 5
200 6.1 61
202 2.1 21
245 1 10
//